1-フェニルアリルアルコール

alpha-Vinylbenzyl alcohol

HCID 92986CAS 42273-76-7

部分構造検索類似構造を探す

基本情報

標準SMILES: C=CC(O)c1ccccc1
InChIKey: MHHJQVRGRPHIMR-UHFFFAOYSA-N
分子式: C9H10O
平均分子量: 134.17 g/mol
単同位体質量: 134.07316494

名称と識別子

優先名称: alpha-Vinylbenzyl alcohol
IUPAC: 1-phenylprop-2-en-1-ol
現地名: α-ビニルベンジルアルコール
英語名: Vinylbenzyl alcohol
分子式: C9H10O
分子量: 134.18

名称と別名

alpha-Vinylbenzyl alcohol42273-76-7NSC 167595RefChem:555959628-880-7822-340-61-phenylprop-2-en-1-ol4393-06-01-Phenylallyl alcohol3-Phenylpropene-3-olPhenylvinylcarbinol1-Phenyl-2-propen-1-ol

名称をさらに表示

AURORA KA-7349Vinylbenzyl alcoholα-Vinylbenzyl alcoholalpha-Vinylbenzyl alcohol 97%Fluoxetine intermediate FXT-2aVINYLBENZYL ALCOHOL ISO 9001：2015 REACH

MFCD000939871'-Hydroxyallylbenzenevinylphenylcarbinol2-Propen-1-ol, 1-phenyl-Benzenemethanol, .alpha.-ethenyl-1-phenyl-prop-2-en-1-olBenzenemethanol, alpha-ethenyl-alpha-Phenylallyl alcohol

データベース識別子

CAS: 42273-76-7、4393-06-0
PubChem CID: 92986
DTXSID: DTXSID901346753
EC Number: 628-880-7、822-340-6
Nikkaji: J101.131F

物性

構造計算による物性

XLogP: 1.9
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 103

物理化学的性質

沸点: 101 · 101-102 °C/12 mmHg (lit.)
比重(密度): 1.021 g/mL · 1.021 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.54(lit.)
闪点: 202 °F · 202 °F
外見: liquid
InChI: 1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9-10H,1H2
InChIKey: MHHJQVRGRPHIMR-UHFFFAOYSA-N
SMILES: OC(C=C)c1ccccc1

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

危険有害性情報

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用α-Vinylbenzyl alcohol may be used in the synthesis of cinnamyl ethers by reacting with alcohols.

一般的な説明α-Vinylbenzyl alcohol is an allyl alcohol derivative. Its isomerization reaction using a novel ternary catalyst system has been reported. The kinetic resolution of racemic α-vinylbenzyl alcohol by tungsten-catalyzed asymmetric epoxidation method has been repoorted. The coupling reaction of α-vinylbenzyl alcohol and aldehydes in the presence of RuCl2(PPh3)3 catalyst and In(OAc)3 as a co-catalyst in ionic liquids has been investigated. Etherification reaction of glycerol with α-vinylbenzyl alcohol in the presence of sulfonic catalyst immobilized on silica (SiO2–SO3H) has been reported.